Crystallography Open Database

Information card for entry 4513592

Preview

Coordinates	4513592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H75 N56 Ni9 O28 W6
Calculated formula	C124 H75 N56 Ni9 O28 W6
Title of publication	Implementation of Chirality into High-Spin Ferromagnetic CoII9WV6and NiII9WV6Cyanido-Bridged Clusters
Authors of publication	Chorazy, Szymon; Reczyński, Mateusz; Podgajny, Robert; Nogaś, Wojciech; Buda, Szymon; Rams, Michał; Nitek, Wojciech; Nowicka, Beata; Mlynarski, Jacek; Ohkoshi, Shin-ichi; Sieklucka, Barbara
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3573
a	16.9144 ± 0.0006 Å
b	29.9433 ± 0.0009 Å
c	18.654 ± 0.0005 Å
α	90°
β	113.636 ± 0.001°
γ	90°
Cell volume	8655.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513592.cif
153929	2015-09-04	cif/ Adding structures of 4513592 via cif-deposit CGI script.	4513592.cif